Geometry & MOs

Info

ID:	429940
PubChem CID:	135169995
Reduced:	ClISN3H9C16 (1)
Stoich.:	ABCD3E9F16 (1)
Weight, g/mol:	308.088495
ΔH_f, kcal/mol:	115.2
Dipole, Da:	4.67
IP(EA), eV:	-9.13(-2.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-3-(1-aminoisoquinolin-4-yl)imino-2-(aminomethylidene)-4,4,4-trifluorobutanal

Drug info:

PubChemData

Smile

C1=CC2=CC(=CC(=C2N=C1)Cl)C3=CN(C4=C3C=CC=N4)SI

DOS

IR

Vibrations